1711 papers
This study develops and validates transparent machine learning surrogates using ensemble regressors to predict HFC adsorption loading and isosteric heat in specific zeolites, demonstrating high accuracy for interpolation within the studied chemical domain while explicitly defining limits for extrapolation to unseen materials.
This study reports the fabrication of a highly efficient and recyclable Ru-Ni/SBA-15 bimetallic catalyst that leverages synergistic electronic effects between ruthenium and nickel to achieve a 65% yield in the green isomerization of linoleic acid to conjugated linoleic acid (CLA) within an ordered mesoporous support.
This study demonstrates that the synergistic addition of guar gum and corn oil to glutinous rice/hydroxypropyl starch blended gels disrupts crystalline structures while enhancing hydrogen bonding, ultimately improving gel elasticity, rigidity, and water-holding capacity.
This paper reports the first asymmetric defluorinative cyanodifluoroalkylation of alkenes using readily available aryl trifluoromethyl compounds as direct CF2 surrogates via a dual photoredox/copper catalytic system, enabling the efficient synthesis of chiral β-difluoroalkyl nitriles with high yields and excellent enantioselectivity.
This study demonstrates that conserved catalytic motifs derived from natural enzymes can spontaneously self-assemble into highly active supramolecular peptide fibrils that recapitulate enzymatic function, proving that complex catalytic activity can emerge from simple peptide architectures independent of the original globular protein fold.
This study reports a "hot-exciton" strategy utilizing indolocarbazole derivatives to achieve room-temperature ultraviolet persistent luminescence in purely organic systems by enabling reverse intersystem crossing through a high-lying triplet state, thereby overcoming the spectral limitations of conventional metal-free emitters.
Sequential hydrogen peroxide oxidation followed by heat–moisture treatment induces structural reorganisation and granule aggregation in jackfruit seed starch, significantly reducing its in vitro digestibility and predicted glycaemic index by converting rapidly digestible starch into resistant starch.
This study demonstrates that a newly synthesized quaternized Schiff base cationic surfactant significantly outperforms its precursor in protecting API 5L X70 carbon steel from 1.0 M HCl corrosion, achieving a maximum inhibition efficiency of 90.90% through a mixed-mode adsorption mechanism confirmed by experimental electrochemical tests and DFT calculations.
This study developed a validated QSAR model incorporating quantum-mechanical and 2D descriptors to identify and evaluate DNA-intercalating Topoisomerase IIα inhibitors with enhanced pharmacokinetic properties for treating estrogen-positive breast cancer, confirming their efficacy through molecular docking and 500 ns molecular dynamics simulations.
This study constructs efficient metal ion cluster-loaded chlorine-doped carbon oxynitride nanocage photocatalysts from retired lithium battery cathodes, both in powder and modular forms, to achieve advanced oxidation performance for degrading organic pollutants and depolymerizing lignin into vanillin via synergistic activation of potassium peroxymonosulfate.